CID 154967

Brn 5314291

Structural Information

Molecular Formula
C21H18BrN3O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)Br
InChI
InChI=1S/C21H18BrN3O3S/c1-28-19-12-13(25-29(2,26)27)10-11-18(19)24-20-14-6-3-4-9-17(14)23-21-15(20)7-5-8-16(21)22/h3-12,25H,1-2H3,(H,23,24)
InChIKey
ODNOWOQJSNCNPJ-UHFFFAOYSA-N
Compound name
N-[4-[(4-bromoacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

471.02524 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.03252 186.8
[M+Na]+ 494.01446 192.8
[M+NH4]+ 489.05906 191.1
[M+K]+ 509.98840 189.6
[M-H]- 470.01796 190.6
[M+Na-2H]- 491.99991 192.9
[M]+ 471.02469 188.2
[M]- 471.02579 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.